CID 13509426

Methylephedrine-n-oxide

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C(C1=CC=CC=C1)O)[N+](C)(C)[O-]
InChI
InChI=1S/C11H17NO2/c1-9(12(2,3)14)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3
InChIKey
PBNJYPIIDRMPMW-UHFFFAOYSA-N
Compound name
1-hydroxy-N,N-dimethyl-1-phenylpropan-2-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 141.1
[M+Na]+ 218.115148 146.1
[M-H]- 194.118654 143.2
[M+NH4]+ 213.159753 159.4
[M+K]+ 234.089088 140.3
[M+H-H2O]+ 178.123190 140.7
[M+HCOO]- 240.124131 162.0
[M+CH3COO]- 254.139781 178.0
[M+Na-2H]- 216.100596 148.4
[M]+ 195.12538142 138.1
[M]- 195.12647858 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.